2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone

C21H33N3O — CID 109004204

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C21H33N3O/c1-4-19-9-5-6-11-24(19)21(25)16-22-12-14-23(15-13-22)20-10-7-8-17(2)18(20)3/h7-8,10,19H,4-6,9,11-16H2,1-3H3
InChIKeyQYWNOPNBNSVMGS-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.22
Rot. Bonds4

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 109004204) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID109004204
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C21H33N3O/c1-4-19-9-5-6-11-24(19)21(25)16-22-12-14-23(15-13-22)20-10-7-8-17(2)18(20)3/h7-8,10,19H,4-6,9,11-16H2,1-3H3
InChIKeyQYWNOPNBNSVMGS-UHFFFAOYSA-N
XLogP3.22
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 46056295
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015598
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029372
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 8690538
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone (CID 109004204) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CN1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is QYWNOPNBNSVMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-19-9-5-6-11-24(19)21(25)16-22-12-14-23(15-13-22)20-10-7-8-17(2)18(20)3/h7-8,10,19H,4-6,9,11-16H2,1-3H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 343.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109004204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).